EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:10:00 REMARK 6 MODELLER OBJECTIVE FUNCTION: 75.5836 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 48.148 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -2001.11401 REMARK 6 GA341 score: 0.94944 REMARK 6 Normalized DOPE score: -0.68541 REMARK 6 TEMPLATE: 1llmC01 104:C - 130:C MODELS 1: - 27: AT 48.1% ATOM 1 N PHE 80 0.031 52.001 70.838 1.00 42.47 N ATOM 2 CA PHE 80 0.653 52.602 69.637 1.00 42.47 C ATOM 3 CB PHE 80 0.796 51.554 68.522 1.00 42.47 C ATOM 4 CG PHE 80 1.898 50.628 68.918 1.00 42.47 C ATOM 5 CD1 PHE 80 1.735 49.736 69.952 1.00 42.47 C ATOM 6 CD2 PHE 80 3.093 50.637 68.234 1.00 42.47 C ATOM 7 CE1 PHE 80 2.752 48.882 70.311 1.00 42.47 C ATOM 8 CE2 PHE 80 4.113 49.785 68.588 1.00 42.47 C ATOM 9 CZ PHE 80 3.946 48.908 69.630 1.00 42.47 C ATOM 10 C PHE 80 -0.156 53.753 69.152 1.00 42.47 C ATOM 11 O PHE 80 -1.355 53.628 68.904 1.00 42.47 O ATOM 12 N THR 81 0.499 54.919 69.002 1.00 32.51 N ATOM 13 CA THR 81 -0.224 56.094 68.627 1.00 32.51 C ATOM 14 CB THR 81 -0.044 57.232 69.588 0.50 32.51 C ATOM 15 OG1 THR 81 -0.454 56.853 70.894 1.00 32.51 O ATOM 16 CG2 THR 81 -0.891 58.415 69.093 1.00 32.51 C ATOM 17 C THR 81 0.259 56.567 67.296 1.00 32.51 C ATOM 18 O THR 81 1.416 56.369 66.926 1.00 32.51 O ATOM 19 N CYS 82 -0.657 57.210 66.544 1.00 34.80 N ATOM 20 CA CYS 82 -0.363 57.750 65.249 1.00 34.80 C ATOM 21 CB CYS 82 -1.599 57.800 64.333 1.00 34.80 C ATOM 22 SG CYS 82 -1.251 58.483 62.685 1.00 34.80 S ATOM 23 C CYS 82 0.112 59.154 65.455 1.00 34.80 C ATOM 24 O CYS 82 -0.497 59.935 66.182 1.00 34.80 O ATOM 25 N LEU 83 1.240 59.505 64.815 1.00127.40 N ATOM 26 CA LEU 83 1.826 60.799 65.005 1.00127.40 C ATOM 27 CB LEU 83 3.191 60.940 64.293 1.00127.40 C ATOM 28 CG LEU 83 3.951 62.264 64.554 1.00127.40 C ATOM 29 CD1 LEU 83 3.289 63.485 63.890 1.00127.40 C ATOM 30 CD2 LEU 83 4.210 62.464 66.056 1.00127.40 C ATOM 31 C LEU 83 0.913 61.865 64.482 1.00127.40 C ATOM 32 O LEU 83 0.762 62.908 65.117 1.00127.40 O ATOM 33 N GLN 84 0.300 61.665 63.297 1.00147.70 N ATOM 34 CA GLN 84 -0.459 62.760 62.760 1.00147.70 C ATOM 35 CB GLN 84 -0.910 62.517 61.306 1.00147.70 C ATOM 36 CG GLN 84 -1.706 63.680 60.706 1.00147.70 C ATOM 37 CD GLN 84 -0.782 64.886 60.603 1.00147.70 C ATOM 38 OE1 GLN 84 0.226 64.978 61.303 1.00147.70 O ATOM 39 NE2 GLN 84 -1.137 65.845 59.707 1.00147.70 N ATOM 40 C GLN 84 -1.685 63.070 63.571 1.00147.70 C ATOM 41 O GLN 84 -1.830 64.179 64.086 1.00147.70 O ATOM 42 N CYS 85 -2.603 62.092 63.705 1.00 53.01 N ATOM 43 CA CYS 85 -3.831 62.285 64.431 1.00 53.01 C ATOM 44 CB CYS 85 -4.885 61.213 64.105 1.00 53.01 C ATOM 45 SG CYS 85 -4.289 59.523 64.409 1.00 53.01 S ATOM 46 C CYS 85 -3.590 62.298 65.910 1.00 53.01 C ATOM 47 O CYS 85 -4.175 63.100 66.637 1.00 53.01 O ATOM 48 N GLY 86 -2.703 61.407 66.394 1.00 21.45 N ATOM 49 CA GLY 86 -2.436 61.330 67.800 1.00 21.45 C ATOM 50 C GLY 86 -3.346 60.309 68.414 1.00 21.45 C ATOM 51 O GLY 86 -3.357 60.138 69.633 1.00 21.45 O ATOM 52 N ASN 87 -4.145 59.599 67.594 1.00 39.51 N ATOM 53 CA ASN 87 -5.016 58.611 68.159 1.00 39.51 C ATOM 54 CB ASN 87 -6.122 58.116 67.213 1.00 39.51 C ATOM 55 CG ASN 87 -7.170 59.208 67.096 1.00 39.51 C ATOM 56 OD1 ASN 87 -7.011 60.303 67.635 1.00 39.51 O ATOM 57 ND2 ASN 87 -8.287 58.896 66.385 1.00 39.51 N ATOM 58 C ASN 87 -4.196 57.427 68.550 1.00 39.51 C ATOM 59 O ASN 87 -3.158 57.148 67.952 1.00 39.51 O ATOM 60 N CYS 88 -4.654 56.701 69.591 1.00 31.91 N ATOM 61 CA CYS 88 -3.943 55.547 70.058 1.00 31.91 C ATOM 62 CB CYS 88 -3.835 55.478 71.588 1.00 31.91 C ATOM 63 SG CYS 88 -3.000 56.926 72.300 1.00 31.91 S ATOM 64 C CYS 88 -4.719 54.347 69.628 1.00 31.91 C ATOM 65 O CYS 88 -5.942 54.401 69.502 1.00 31.91 O ATOM 66 N PHE 89 -4.019 53.221 69.384 1.00 51.08 N ATOM 67 CA PHE 89 -4.708 52.048 68.939 1.00 51.08 C ATOM 68 CB PHE 89 -4.415 51.690 67.472 1.00 51.08 C ATOM 69 CG PHE 89 -5.003 52.764 66.616 1.00 51.08 C ATOM 70 CD1 PHE 89 -4.327 53.944 66.399 1.00 51.08 C ATOM 71 CD2 PHE 89 -6.231 52.587 66.019 1.00 51.08 C ATOM 72 CE1 PHE 89 -4.873 54.929 65.608 1.00 51.08 C ATOM 73 CE2 PHE 89 -6.781 53.568 65.227 1.00 51.08 C ATOM 74 CZ PHE 89 -6.100 54.742 65.018 1.00 51.08 C ATOM 75 C PHE 89 -4.310 50.886 69.788 1.00 51.08 C ATOM 76 O PHE 89 -3.234 50.856 70.386 1.00 51.08 O ATOM 77 N THR 90 -5.219 49.894 69.852 1.00111.97 N ATOM 78 CA THR 90 -5.079 48.700 70.627 1.00111.97 C ATOM 79 CB THR 90 -6.312 47.851 70.562 1.00111.97 C ATOM 80 OG1 THR 90 -6.486 47.342 69.248 1.00111.97 O ATOM 81 CG2 THR 90 -7.515 48.734 70.937 1.00111.97 C ATOM 82 C THR 90 -3.951 47.883 70.085 1.00111.97 C ATOM 83 O THR 90 -3.213 47.261 70.849 1.00111.97 O ATOM 84 N ARG 91 -3.788 47.842 68.748 1.00126.45 N ATOM 85 CA ARG 91 -2.759 46.981 68.248 1.00126.45 C ATOM 86 CB ARG 91 -3.337 45.696 67.636 1.00126.45 C ATOM 87 CG ARG 91 -2.323 44.569 67.466 1.00126.45 C ATOM 88 CD ARG 91 -2.980 43.224 67.156 1.00126.45 C ATOM 89 NE ARG 91 -3.857 43.423 65.968 1.00126.45 N ATOM 90 CZ ARG 91 -5.108 42.877 65.948 1.00126.45 C ATOM 91 NH1 ARG 91 -5.568 42.185 67.031 1.00126.45 N ATOM 92 NH2 ARG 91 -5.899 43.023 64.845 1.00126.45 N ATOM 93 C ARG 91 -1.927 47.694 67.222 1.00126.45 C ATOM 94 O ARG 91 -2.396 48.583 66.513 1.00126.45 O ATOM 95 N LYS 92 -0.644 47.290 67.133 1.00136.76 N ATOM 96 CA LYS 92 0.335 47.861 66.251 1.00136.76 C ATOM 97 CB LYS 92 1.724 47.221 66.429 1.00136.76 C ATOM 98 CG LYS 92 2.700 47.519 65.287 1.00136.76 C ATOM 99 CD LYS 92 3.050 48.997 65.122 1.00136.76 C ATOM 100 CE LYS 92 4.068 49.249 64.009 1.00136.76 C ATOM 101 NZ LYS 92 3.592 48.651 62.741 1.00136.76 N ATOM 102 C LYS 92 -0.064 47.668 64.823 1.00136.76 C ATOM 103 O LYS 92 0.121 48.562 64.000 1.00136.76 O ATOM 104 N HIS 93 -0.619 46.492 64.486 1.00 61.83 N ATOM 105 CA HIS 93 -0.962 46.203 63.123 1.00 61.83 C ATOM 106 ND1 HIS 93 -0.700 43.376 64.891 1.00 61.83 N ATOM 107 CG HIS 93 -0.648 43.757 63.569 1.00 61.83 C ATOM 108 CB HIS 93 -1.548 44.792 62.966 1.00 61.83 C ATOM 109 NE2 HIS 93 0.944 42.207 63.960 1.00 61.83 N ATOM 110 CD2 HIS 93 0.362 43.033 63.015 1.00 61.83 C ATOM 111 CE1 HIS 93 0.273 42.449 65.071 1.00 61.83 C ATOM 112 C HIS 93 -2.000 47.183 62.677 1.00 61.83 C ATOM 113 O HIS 93 -1.944 47.698 61.561 1.00 61.83 O ATOM 114 N ASN 94 -2.977 47.469 63.559 1.00 31.13 N ATOM 115 CA ASN 94 -4.054 48.365 63.251 1.00 31.13 C ATOM 116 CB ASN 94 -5.096 48.450 64.382 1.00 31.13 C ATOM 117 CG ASN 94 -5.745 47.080 64.534 1.00 31.13 C ATOM 118 OD1 ASN 94 -5.233 46.079 64.034 1.00 31.13 O ATOM 119 ND2 ASN 94 -6.906 47.033 65.240 1.00 31.13 N ATOM 120 C ASN 94 -3.501 49.739 63.046 1.00 31.13 C ATOM 121 O ASN 94 -3.954 50.475 62.171 1.00 31.13 O ATOM 122 N LEU 95 -2.508 50.126 63.866 1.00 37.95 N ATOM 123 CA LEU 95 -1.935 51.434 63.750 1.00 37.95 C ATOM 124 CB LEU 95 -0.868 51.720 64.819 0.50 37.95 C ATOM 125 CG LEU 95 -0.245 53.123 64.696 0.50 37.95 C ATOM 126 CD1 LEU 95 -1.305 54.225 64.864 0.50 37.95 C ATOM 127 CD2 LEU 95 0.940 53.292 65.656 0.50 37.95 C ATOM 128 C LEU 95 -1.282 51.562 62.411 1.00 37.95 C ATOM 129 O LEU 95 -1.399 52.591 61.749 1.00 37.95 O ATOM 130 N GLN 96 -0.592 50.503 61.958 1.00 76.56 N ATOM 131 CA GLN 96 0.132 50.606 60.725 1.00 76.56 C ATOM 132 CB GLN 96 0.943 49.348 60.381 1.00 76.56 C ATOM 133 CG GLN 96 1.720 49.495 59.071 1.00 76.56 C ATOM 134 CD GLN 96 2.496 48.209 58.833 1.00 76.56 C ATOM 135 OE1 GLN 96 1.910 47.143 58.652 1.00 76.56 O ATOM 136 NE2 GLN 96 3.852 48.308 58.838 1.00 76.56 N ATOM 137 C GLN 96 -0.809 50.850 59.586 1.00 76.56 C ATOM 138 O GLN 96 -0.541 51.699 58.738 1.00 76.56 O ATOM 139 N VAL 97 -1.939 50.117 59.534 1.00 83.32 N ATOM 140 CA VAL 97 -2.863 50.275 58.446 1.00 83.32 C ATOM 141 CB VAL 97 -3.986 49.278 58.472 1.00 83.32 C ATOM 142 CG1 VAL 97 -4.819 49.503 59.745 1.00 83.32 C ATOM 143 CG2 VAL 97 -4.792 49.421 57.170 1.00 83.32 C ATOM 144 C VAL 97 -3.463 51.644 58.499 1.00 83.32 C ATOM 145 O VAL 97 -3.649 52.290 57.469 1.00 83.32 O ATOM 146 N HIS 98 -3.763 52.126 59.719 1.00 59.19 N ATOM 147 CA HIS 98 -4.412 53.389 59.924 1.00 59.19 C ATOM 148 ND1 HIS 98 -6.462 55.456 61.560 1.00 59.19 N ATOM 149 CG HIS 98 -5.136 55.094 61.653 1.00 59.19 C ATOM 150 CB HIS 98 -4.602 53.713 61.416 1.00 59.19 C ATOM 151 NE2 HIS 98 -5.339 57.293 62.122 1.00 59.19 N ATOM 152 CD2 HIS 98 -4.465 56.228 61.995 1.00 59.19 C ATOM 153 CE1 HIS 98 -6.525 56.782 61.851 1.00 59.19 C ATOM 154 C HIS 98 -3.581 54.489 59.346 1.00 59.19 C ATOM 155 O HIS 98 -4.102 55.407 58.720 1.00 59.19 O ATOM 156 N MET 99 -2.255 54.408 59.515 1.00119.84 N ATOM 157 CA MET 99 -1.360 55.448 59.089 1.00119.84 C ATOM 158 CB MET 99 0.103 55.110 59.404 1.00119.84 C ATOM 159 CG MET 99 1.091 56.212 59.026 1.00119.84 C ATOM 160 SD MET 99 2.818 55.792 59.396 1.00119.84 S ATOM 161 CE MET 99 2.602 55.836 61.198 1.00119.84 C ATOM 162 C MET 99 -1.461 55.621 57.606 1.00119.84 C ATOM 163 O MET 99 -1.354 56.732 57.086 1.00119.84 O ATOM 164 N ARG 100 -1.694 54.517 56.883 1.00 84.43 N ATOM 165 CA ARG 100 -1.717 54.533 55.453 1.00 84.43 C ATOM 166 CB ARG 100 -1.996 53.141 54.855 1.00 84.43 C ATOM 167 CG ARG 100 -0.954 52.106 55.294 1.00 84.43 C ATOM 168 CD ARG 100 -1.182 50.692 54.753 1.00 84.43 C ATOM 169 NE ARG 100 -0.330 49.774 55.564 1.00 84.43 N ATOM 170 CZ ARG 100 -0.434 48.421 55.418 1.00 84.43 C ATOM 171 NH1 ARG 100 -1.227 47.900 54.436 1.00 84.43 N ATOM 172 NH2 ARG 100 0.251 47.587 56.256 1.00 84.43 N ATOM 173 C ARG 100 -2.775 55.485 54.997 1.00 84.43 C ATOM 174 O ARG 100 -2.628 56.094 53.941 1.00 84.43 O ATOM 175 N VAL 101 -3.874 55.648 55.758 1.00 92.14 N ATOM 176 CA VAL 101 -4.908 56.524 55.286 1.00 92.14 C ATOM 177 CB VAL 101 -6.090 56.612 56.215 1.00 92.14 C ATOM 178 CG1 VAL 101 -5.678 57.298 57.526 1.00 92.14 C ATOM 179 CG2 VAL 101 -7.233 57.322 55.473 1.00 92.14 C ATOM 180 C VAL 101 -4.341 57.902 55.094 1.00 92.14 C ATOM 181 O VAL 101 -4.629 58.561 54.096 1.00 92.14 O ATOM 182 N HIS 102 -3.532 58.383 56.055 1.00 48.21 N ATOM 183 CA HIS 102 -2.952 59.692 55.942 1.00 48.21 C ATOM 184 ND1 HIS 102 -4.160 61.066 58.630 1.00 48.21 N ATOM 185 CG HIS 102 -3.174 60.128 58.418 1.00 48.21 C ATOM 186 CB HIS 102 -2.250 60.133 57.236 1.00 48.21 C ATOM 187 NE2 HIS 102 -4.266 59.643 60.334 1.00 48.21 N ATOM 188 CD2 HIS 102 -3.254 59.266 59.469 1.00 48.21 C ATOM 189 CE1 HIS 102 -4.781 60.729 59.788 1.00 48.21 C ATOM 190 C HIS 102 -1.931 59.727 54.837 1.00 48.21 C ATOM 191 O HIS 102 -1.955 60.619 53.991 1.00 48.21 O ATOM 192 N THR 103 -1.017 58.734 54.812 1.00 36.06 N ATOM 193 CA THR 103 0.092 58.685 53.891 1.00 36.06 C ATOM 194 CB THR 103 1.064 57.586 54.214 1.00 36.06 C ATOM 195 OG1 THR 103 0.432 56.319 54.102 1.00 36.06 O ATOM 196 CG2 THR 103 1.578 57.797 55.648 1.00 36.06 C ATOM 197 C THR 103 -0.355 58.490 52.476 1.00 36.06 C ATOM 198 O THR 103 0.158 59.137 51.564 1.00 36.06 O ATOM 199 N GLY 104 -1.339 57.607 52.246 1.00 21.22 N ATOM 200 CA GLY 104 -1.743 57.332 50.900 1.00 21.22 C ATOM 201 C GLY 104 -0.949 56.162 50.418 1.00 21.22 C ATOM 202 O GLY 104 -0.925 55.867 49.223 1.00 21.22 O ATOM 203 N GLU 105 -0.279 55.458 51.352 1.00 39.49 N ATOM 204 CA GLU 105 0.487 54.307 50.979 1.00 39.49 C ATOM 205 CB GLU 105 1.139 53.562 52.158 1.00 39.49 C ATOM 206 CG GLU 105 1.950 52.337 51.722 1.00 39.49 C ATOM 207 CD GLU 105 2.481 51.623 52.961 1.00 39.49 C ATOM 208 OE1 GLU 105 1.921 51.848 54.065 1.00 39.49 O ATOM 209 OE2 GLU 105 3.456 50.835 52.817 1.00 39.49 O ATOM 210 C GLU 105 -0.455 53.341 50.358 1.00 39.49 C ATOM 211 O GLU 105 -1.605 53.214 50.778 1.00 39.49 O ATOM 212 N LYS 106 0.034 52.639 49.320 1.00 57.94 N ATOM 213 CA LYS 106 -0.762 51.690 48.607 1.00 57.94 C ATOM 214 CB LYS 106 -0.101 51.256 47.292 1.00 57.94 C ATOM 215 CG LYS 106 -1.037 50.526 46.334 1.00 57.94 C ATOM 216 CD LYS 106 -0.481 50.465 44.908 1.00 57.94 C ATOM 217 CE LYS 106 -1.417 49.806 43.895 1.00 57.94 C ATOM 218 NZ LYS 106 -0.844 49.902 42.531 1.00 57.94 N ATOM 219 C LYS 106 -0.916 50.451 49.476 1.00 57.94 C ATOM 220 O LYS 106 -1.616 49.502 49.025 1.00 57.94 O ATOM 221 OXT LYS 106 -0.334 50.429 50.591 1.00 57.94 O